(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one

C22H15NO — CID 66760009

IUPAC(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2ccccc2n1)c1ccc2ccccc2c1
InChIInChI=1S/C22H15NO/c24-22(19-10-9-16-5-1-2-7-18(16)15-19)14-13-20-12-11-17-6-3-4-8-21(17)23-20/h1-15H/b14-13+
InChIKeyBEOYFEGSHSINRL-BUHFOSPRSA-N
MW309.37 g/mol
LogP5.28
Rot. Bonds3

About (E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one

(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one (PubChem CID 66760009) has the molecular formula C22H15NO and a molecular weight of 309.37 g/mol. Its IUPAC name is (E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
PubChem CID66760009
Molecular FormulaC22H15NO
Molecular Weight309.37 g/mol
Exact Mass309.12
IUPAC Name(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2ccccc2n1)c1ccc2ccccc2c1
InChIInChI=1S/C22H15NO/c24-22(19-10-9-16-5-1-2-7-18(16)15-19)14-13-20-12-11-17-6-3-4-8-21(17)23-20/h1-15H/b14-13+
InChIKeyBEOYFEGSHSINRL-BUHFOSPRSA-N
XLogP5.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
CID 74395294
(E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
CID 11595580
(E)-1-[4-(4-acetylpiperazine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
CID 11718577
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
1-[4-(3-quinolin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxylic acid
CID 67013380
3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one
CID 126839455
(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
CID 12782042
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
4-hydroxy-3-[(E)-3-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid
CID 10622076
1-[4-[(E)-3-quinolin-2-ylprop-2-enoyl]benzoyl]pyrrolidine-2-carboxamide
CID 11538566
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392

Frequently Asked Questions

What is the IUPAC name of (E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one (CID 66760009) is (E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc2ccccc2n1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one?
The InChIKey is BEOYFEGSHSINRL-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H15NO/c24-22(19-10-9-16-5-1-2-7-18(16)15-19)14-13-20-12-11-17-6-3-4-8-21(17)23-20/h1-15H/b14-13+.
What are the key properties of (E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one?
(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one has a molecular weight of 309.37 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one is sourced from PubChem (CID 66760009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).